X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Freadrtns.F;h=ff5b18e197be872177819a997afc1c70f801d73c;hp=06c7af572c09a2841c0f672e115e8ba0d9f7da75;hb=1f0aa575ca64693f9abaeb4f25a781f24f609eb5;hpb=7d64cc3ff0edffb6aa37e309e4375f58bd5875a2 diff --git a/source/wham/src-M/readrtns.F b/source/wham/src-M/readrtns.F index 06c7af5..ff5b18e 100644 --- a/source/wham/src-M/readrtns.F +++ b/source/wham/src-M/readrtns.F @@ -80,6 +80,10 @@ call reada(controlcard,'BOXX',boxxsize,100.0d0) call reada(controlcard,'BOXY',boxysize,100.0d0) call reada(controlcard,'BOXZ',boxzsize,100.0d0) + call readi(controlcard,'TUBEMOD',tubelog,0) + write (iout,*) TUBElog,"TUBEMODE" + call readi(controlcard,'GENCONSTR',genconstr,0) + c Cutoff range for interactions call reada(controlcard,"R_CUT",r_cut,15.0d0) call reada(controlcard,"LAMBDA",rlamb,0.3d0) @@ -106,6 +110,17 @@ C endif write (iout,*) "einicheck",einicheck write (iout,*) "rescale_mode",rescale_mode call flush(iout) + if (TUBElog.gt.0) then + call reada(controlcard,"XTUBE",tubecenter(1),0.0d0) + call reada(controlcard,"YTUBE",tubecenter(2),0.0d0) + call reada(controlcard,"ZTUBE",tubecenter(3),0.0d0) + call reada(controlcard,"RTUBE",tubeR0,0.0d0) + call reada(controlcard,"TUBETOP",bordtubetop,boxzsize) + call reada(controlcard,"TUBEBOT",bordtubebot,0.0d0) + call reada(controlcard,"TUBEBUF",tubebufthick,1.0d0) + buftubebot=bordtubebot+tubebufthick + buftubetop=bordtubetop-tubebufthick + endif bxfile=index(controlcard,"BXFILE").gt.0 cxfile=index(controlcard,"CXFILE").gt.0 if (nslice .eq. 1 .and. .not.bxfile .and. .not.cxfile)